Geometry & MOs

Info

ID:	18688
PubChem CID:	546408
Reduced:	O2C11H22 (1)
Stoich.:	A2B11C22 (1)
Weight, g/mol:	186.16198
ΔH_f, kcal/mol:	-141.51
Dipole, Da:	2.08
IP(EA), eV:	-10.46(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butan-2-yl 2-methylhexanoate

Drug info:

PubChemData

Smile

CCCCC(C)C(=O)OC(C)CC

DOS

IR

Vibrations